2-methyl-6-[[1-(4-methylphenyl)cyclobutyl]methylamino]hexan-1-ol

C19H31NO — CID 142125069

IUPAC2-methyl-6-[[1-(4-methylphenyl)cyclobutyl]methylamino]hexan-1-ol
SMILESCc1ccc(C2(CNCCCCC(C)CO)CCC2)cc1
InChIInChI=1S/C19H31NO/c1-16-7-9-18(10-8-16)19(11-5-12-19)15-20-13-4-3-6-17(2)14-21/h7-10,17,20-21H,3-6,11-15H2,1-2H3
InChIKeyIVINCCFIGQKSQC-UHFFFAOYSA-N
MW289.46 g/mol
LogP3.81
Rot. Bonds9

About 2-methyl-6-[[1-(4-methylphenyl)cyclobutyl]methylamino]hexan-1-ol

2-methyl-6-[[1-(4-methylphenyl)cyclobutyl]methylamino]hexan-1-ol (PubChem CID 142125069) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-methyl-6-[[1-(4-methylphenyl)cyclobutyl]methylamino]hexan-1-ol.

Molecular Properties

Compound Name2-methyl-6-[[1-(4-methylphenyl)cyclobutyl]methylamino]hexan-1-ol
PubChem CID142125069
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-methyl-6-[[1-(4-methylphenyl)cyclobutyl]methylamino]hexan-1-ol
SMILESCc1ccc(C2(CNCCCCC(C)CO)CCC2)cc1
InChIInChI=1S/C19H31NO/c1-16-7-9-18(10-8-16)19(11-5-12-19)15-20-13-4-3-6-17(2)14-21/h7-10,17,20-21H,3-6,11-15H2,1-2H3
InChIKeyIVINCCFIGQKSQC-UHFFFAOYSA-N
XLogP3.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[1-(4-methylphenyl)cyclobutyl]methylamino]hexan-1-ol?
The IUPAC name of 2-methyl-6-[[1-(4-methylphenyl)cyclobutyl]methylamino]hexan-1-ol (CID 142125069) is 2-methyl-6-[[1-(4-methylphenyl)cyclobutyl]methylamino]hexan-1-ol.
What is the SMILES notation for 2-methyl-6-[[1-(4-methylphenyl)cyclobutyl]methylamino]hexan-1-ol?
The canonical SMILES for 2-methyl-6-[[1-(4-methylphenyl)cyclobutyl]methylamino]hexan-1-ol is Cc1ccc(C2(CNCCCCC(C)CO)CCC2)cc1.
What is the InChIKey of 2-methyl-6-[[1-(4-methylphenyl)cyclobutyl]methylamino]hexan-1-ol?
The InChIKey is IVINCCFIGQKSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-16-7-9-18(10-8-16)19(11-5-12-19)15-20-13-4-3-6-17(2)14-21/h7-10,17,20-21H,3-6,11-15H2,1-2H3.
What are the key properties of 2-methyl-6-[[1-(4-methylphenyl)cyclobutyl]methylamino]hexan-1-ol?
2-methyl-6-[[1-(4-methylphenyl)cyclobutyl]methylamino]hexan-1-ol has a molecular weight of 289.46 g/mol, XLogP of 3.81, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[1-(4-methylphenyl)cyclobutyl]methylamino]hexan-1-ol is sourced from PubChem (CID 142125069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).